N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride

C24H26Cl2N2O — CID 45481581

IUPACN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride
SMILESCN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClN2O.ClH/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18;/h3-15,23H,16-17H2,1-2H3,(H,26,28);1H/t23-;/m0./s1
InChIKeySEHQGSBDJSWQQU-BQAIUKQQSA-N
MW429.39 g/mol
LogP5.85
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride

N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride (PubChem CID 45481581) has the molecular formula C24H26Cl2N2O and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride
PubChem CID45481581
Molecular FormulaC24H26Cl2N2O
Molecular Weight429.39 g/mol
Exact Mass428.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride
SMILESCN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25ClN2O.ClH/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18;/h3-15,23H,16-17H2,1-2H3,(H,26,28);1H/t23-;/m0./s1
InChIKeySEHQGSBDJSWQQU-BQAIUKQQSA-N
XLogP5.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride (CID 45481581) is N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride is CN(C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride?
The InChIKey is SEHQGSBDJSWQQU-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H25ClN2O.ClH/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18;/h3-15,23H,16-17H2,1-2H3,(H,26,28);1H/t23-;/m0./s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride?
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride has a molecular weight of 429.39 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide;hydrochloride is sourced from PubChem (CID 45481581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).